Package qsardes.molecule

# Class MoleculeBuilderQsarWB

java.lang.Object
qsardes.molecule.AbstractMoleculeBuilder
qsardes.molecule.MoleculeBuilderQsarWB

public class MoleculeBuilderQsarWB extends AbstractMoleculeBuilder
This class builds a QSAR-WB Descriptors compliant molecular representation.

- ## Constructor Summary

  Constructors
  Constructor
  Description
  `MoleculeBuilderQsarWB(String smiles)`
  Constructs a molecular representation QSAR-WB Descriptors compliant.

- ## Method Summary

  ### Methods inherited from class qsardes.molecule.AbstractMoleculeBuilder

  `build_graph, configure_atoms, get_atom_container, get_atom_count, get_bond_count, get_graph, get_implicit_hydrogens_count, set_atom_container`

  ### Methods inherited from class java.lang.Object

  `clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait`

- ## Constructor Details

  - ### MoleculeBuilderQsarWB

    public MoleculeBuilderQsarWB(String smiles) throws Exception
    Constructs a molecular representation QSAR-WB Descriptors compliant.
    Parameters:
      `smiles` - Molecular SMILES.
    Throws:
      `Exception`